Showing results 8 to 27 of 36
< previous
next >
Issue Date | Title | Author(s) |
3-Sep-2019 | Computational assessment on the Tolman cone angles for P-ligands | Jover Modrego, Jesús; Cirera Fernández, Jordi |
22-Oct-2019 | Computational exploration of NO single-site disproportionation on Fe-MOF-5 | Jover Modrego, Jesús; Brozek, Carl K.; Dincă, Mircea; López, Núria (López Alonso) |
7-Apr-2021 | Coordination of LiH Molecules to Mo Mo Bonds: Experimental and Computational Studies on Mo2LiH2, Mo2Li2H4, and Mo6Li9H18 Clusters | Perez-Jimenez, Marina; Curado, Natalia; Maya, Celia; Campos, Jesus; Jover Modrego, Jesús; Álvarez, Santiago (Álvarez Reverter); Carmona, Ernesto |
28-Dec-2015 | Copper-catalyzed Eglinton oxidative homocoupling of terminal alkynes: a computational study | Jover Modrego, Jesús |
16-Feb-2017 | Diarylplatinum(II) Scaffolds for Kinetic and Mechanistic Studies on the Formation of Platinacycles via an Oxidative Addition/Reductive Elimination/Oxidative Addition Sequence | Aullón López, Gabriel; Crespo Vicente, Margarita Ma.; Jover Modrego, Jesús; Martínez López, Manuel, 1957- |
10-Jun-2021 | Differentiation of Epoxide Enantiomers in the Confined Spaces of an Homochiral Cu(II) MOF by Kinetic Resolution | Cabezas Giménez, Juan José; Lillo, Vanesa; Núñez Rico, José Luis; Corella Ochoa, M. Nieves; Jover Modrego, Jesús; Galán Mascarós, Jose Ramón; Vidal Ferran, Anton |
2-Sep-2014 | Ferro- to antiferromagnetic crossover angle in diphenoxido- and carboxylato-bridged trinuclear Ni(II)2-Mn(II) complexes: experimental observations and theoretical rationalization | Seth, Piya; Figuerola i Silvestre, Albert; Jover Modrego, Jesús; Ruiz Sabín, Eliseo; Ghosh, Ashutosh |
17-Jan-2022 | From Simple Alkenes and CO2 to Fluorinated Carboxylic Acids: Computational Studies and Predictions | Echeverría, Jorge; Jover Modrego, Jesús |
11-May-2017 | Investigation of easy-plane magnetic anisotropy in P-ligand square-pyramidal Co-II single ion magnets | Mondal, Amit Kumar; Jover Modrego, Jesús; Ruiz Sabín, Eliseo; Konar, Sanjit |
3-Jul-2018 | Kineticomechanistic study of the redox pH cycling processes occurring on a robust water-soluble cyanido-bridged mixed-valence {CoIII/FeII}2 square | Alcázar, Laura; Bernhardt, Paul V.; Ferrer García, Montserrat; Font Bardia, Ma. Mercedes; Gallen Ortiz, Albert; Jover Modrego, Jesús; Martínez López, Manuel, 1957-; Peters, Jack; Zerk, Timothy J. |
19-Jan-2022 | Low-Valent Titanium Species Stabilized with Aluminum/Boron Hydride Fragments | Del Horno, Estefanía; Jover Modrego, Jesús; Mena, Miguel; Pérez-Redondo, Adrián; Yélamos, Carlos |
8-Dec-2015 | Magnetic behavior of heterometallic wheels having a [MnIV6M2O9]10+ core with M = Ca2+ and Sr2+ | Escriche Tur, Luis; Jover Modrego, Jesús; Font Bardia, Ma. Mercedes; Aullón López, Gabriel; Corbella i Cordomí, Montserrat |
2016 | Mechanistic investigation of iridium-catalyzed C-H borylation of methyl benzoate: Ligand effects in regioselectivity and activity | Jover Modrego, Jesús; Maseras Cuní, Feliu |
3-Sep-2015 | Modulation of single-molecule magnet behaviour via photochemical [2+2] cycloaddition | Wang, Long-Fei; Chen, Yan-Cong; Liu, Jun-Liang; Li, Quan-Wen; Hong, Jun-Yu; Jia, Jian-Hua; Jover Modrego, Jesús; Ruiz Sabín, Eliseo; Tong, Ming-Liang |
6-Dec-2021 | Molecular Approach to Alkali-Metal Encapsulation by a Prussian Blue Analogue FeII/CoIII Cube in Aqueous Solution: A Kineticomechanistic Exchange Study | Gonzálvez, Miguel A.; Bernhardt, Paul V.; Font Bardia, Ma. Mercedes; Gallen Ortiz, Albert; Jover Modrego, Jesús; Ferrer García, Montserrat; Martínez López, Manuel, 1957- |
22-Feb-2023 | Monocyclopentadienyltitanium(III) Complexes with Hydridoborato Ligands | Calvo-Molina, Adrián; Del Horno, Estefanía; Jover Modrego, Jesús; Pérez-Redondo, Adriánn; Yélamos, Carlos; Zapata, Rosa |
18-Sep-2019 | Nickel-catalyzed aryl trifluoromethyl sulfides synthesis: A DFT study | Jover Modrego, Jesús |
2016 | QM/MM calculations on selectivity in homogeneous catalysis | Jover Modrego, Jesús; Maseras Cuní, Feliu |
21-Nov-2017 | Quantitative DFT modeling of product concentration in organometallic reactions: Cu-mediated pentafluoroethylation of benzoic acid chlorides as a case study | Jover Modrego, Jesús |
12-Sep-2017 | Quantitative estimation of ising-type magnetic anisotropy in a family of C-3-symmetric Co-II complexes | Mondal, Amit Kumar; Jover Modrego, Jesús; Ruiz Sabín, Eliseo; Konar, Sanjit |